1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol

C14H21NO — CID 115113292

IUPAC1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol
SMILESNCCCc1ccc(CCC2(O)CC2)cc1
InChIInChI=1S/C14H21NO/c15-11-1-2-12-3-5-13(6-4-12)7-8-14(16)9-10-14/h3-6,16H,1-2,7-11,15H2
InChIKeyAPIDFHZNBRRCJF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.04
Rot. Bonds6

About 1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol

1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol (PubChem CID 115113292) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol
PubChem CID115113292
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol
SMILESNCCCc1ccc(CCC2(O)CC2)cc1
InChIInChI=1S/C14H21NO/c15-11-1-2-12-3-5-13(6-4-12)7-8-14(16)9-10-14/h3-6,16H,1-2,7-11,15H2
InChIKeyAPIDFHZNBRRCJF-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-(4-aminobutyl)phenyl]ethyl]cyclopropan-1-ol
CID 117115632
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
1-[2-(4-chlorophenyl)ethyl]cyclopentan-1-ol
CID 18398262
3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine
CID 115113293
1-[2-(4-ethenylphenyl)ethyl]cyclopropan-1-ol
CID 129180532
4-[2-(1-hydroxycyclobutyl)ethyl]phenol
CID 59527196
4-(3-aminopropyl)phenol
CID 4574248
1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073756
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
3-[4-(1-but-1-en-2-ylcyclobutyl)phenyl]propan-1-amine
CID 170069018
1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol;hydrochloride
CID 3041196
[4-(4-aminobutyl)phenyl]methanol
CID 11550093

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol (CID 115113292) is 1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol is NCCCc1ccc(CCC2(O)CC2)cc1.
What is the InChIKey of 1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol?
The InChIKey is APIDFHZNBRRCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-11-1-2-12-3-5-13(6-4-12)7-8-14(16)9-10-14/h3-6,16H,1-2,7-11,15H2.
What are the key properties of 1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol?
1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-aminopropyl)phenyl]ethyl]cyclopropan-1-ol is sourced from PubChem (CID 115113292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).